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Runtime error
saicharan2804
commited on
Commit
·
b4c02aa
1
Parent(s):
5e2e670
Code change
Browse files- my_metric.py +3 -3
my_metric.py
CHANGED
@@ -76,9 +76,9 @@ class my_metric(evaluate.Metric):
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reference_urls=["https://github.com/molecularsets/moses", "https://tdcommons.ai/functions/oracles/"],
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)
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def _compute(self, generated_smiles, train_smiles):
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Results = metrics.get_all_metrics(generated_smiles)
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evaluator = Evaluator(name = 'Diversity')
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Diversity = evaluator(generated_smiles)
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@@ -103,7 +103,7 @@ class my_metric(evaluate.Metric):
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"PyTDC_Novelty": Novelty,
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"PyTDC_Validity": Validity,
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})
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oracle_list = [
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'QED', 'SA', 'MPO', 'GSK3B', 'JNK3',
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reference_urls=["https://github.com/molecularsets/moses", "https://tdcommons.ai/functions/oracles/"],
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)
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+
def _compute(self, generated_smiles, train_smiles = None):
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Results = metrics.get_all_metrics(gen = generated_smiles, train= train_smiles)
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evaluator = Evaluator(name = 'Diversity')
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Diversity = evaluator(generated_smiles)
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"PyTDC_Novelty": Novelty,
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"PyTDC_Validity": Validity,
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})
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+
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oracle_list = [
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'QED', 'SA', 'MPO', 'GSK3B', 'JNK3',
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